SCHEMBL4070531

SCHEMBL4070531

CC(C)(C(=O)Nc1nsc(-c2ccccc2)n1)S(=O)(=O)c1ccc(Cl)cc1F.CCc1ccnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
PIK3C3 Q8NEB9 2/20 0.37
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RIOK2 Q9BVS4 1/20 0.36
CNR1 P21554 2/20 0.36
THRB P10828 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
CCR2 P41597 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1464075 0.89 NPC1 (0.47) CNR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4073305 0.87 MAPT (0.35) CNR2NPC1RAB9AMAPTHTT
SCHEMBL1464745 0.86 PKM (0.43) CNR2PIK3C3RIOK2CNR1MAPK14
SCHEMBL4069812 0.78 MEN1 (0.41) CNR2SMN1; SMN2NPC1RAB9APIK3C3
SCHEMBL1465871 0.75 CNR2 (0.53) CNR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3960775 0.75 CNR2 (0.42) CNR2MAPTHSD17B10CNR1DUSP3
SCHEMBL1464740 0.73 CNR2 (0.58) CNR2PIK3C3RIOK2CNR1PKM
SCHEMBL1464642 0.72 CNR2 (0.54) CNR2PIK3C3CNR1GRM4
SCHEMBL1463731 0.72 AR (0.52) CNR2PIK3C3CNR1DDR1ALDH1A1
SCHEMBL1465579 0.72 ALDH1A1 (0.50) CNR2MAPTHSD17B10DUSP3GRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed